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Home > Aldehydes > 921620-78-2
921620-78-2 | Benzaldehyde, 2-iodo-3-(1H-pyrrol-1-ylcarbonyl)-
CAS No: 921620-78-2 Catalog No: AG0064PK MDL No:
Product Description
Catalog Number:
AG0064PK
Chemical Name:
Benzaldehyde, 2-iodo-3-(1H-pyrrol-1-ylcarbonyl)-
CAS Number:
921620-78-2
Molecular Formula:
C12H8INO2
Molecular Weight:
325.1019
IUPAC Name:
2-iodo-3-(pyrrole-1-carbonyl)benzaldehyde
InChI:
InChI=1S/C12H8INO2/c13-11-9(8-15)4-3-5-10(11)12(16)14-6-1-2-7-14/h1-8H
InChI Key:
SAKKJQPOZLRIBG-UHFFFAOYSA-N
SMILES:
O=Cc1cccc(c1I)C(=O)n1cccc1
Properties
Complexity:
276
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
324.96g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
325.105g/mol
Monoisotopic Mass:
324.96g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
39.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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